(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

C19H23ClN4O3 — CID 164642463

IUPAC(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyFQGATGAAPDPLIO-HNNXBMFYSA-N
MW390.87 g/mol
LogP3.83
Rot. Bonds4

About (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 164642463) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID164642463
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyFQGATGAAPDPLIO-HNNXBMFYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 164642463) is (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1.
What is the InChIKey of (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is FQGATGAAPDPLIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 164642463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).